SCHEMBL14585307

SCHEMBL14585307

CN(C)CCCNc1nc(CN2CCN(CCCC3CCCCC3)CC2)nc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 2/20 0.50
▸ EHMT2 Q96KQ7 2/20 0.50
▸ ACP1 P24666 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ BCHE P06276 2/20 0.46
▸ ACHE P22303 2/20 0.46
▸ RAD52 P43351 5/20 0.45
▸ TERT O14746 3/20 0.45
▸ POLB P06746 3/20 0.44
▸ HRH3 Q9Y5N1 2/20 0.44
▸ HRH2 P25021 1/20 0.44
▸ HRH1 P35367 1/20 0.44
▸ TOP2A P11388 1/20 0.44
▸ FLT3 P36888 2/20 0.43
▸ RCOR1 Q9UKL0 1/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ SLC2A1 P11166 1/20 0.43
▸ APOBEC3A P31941 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14585358 0.85 KDM1A (0.53) KDM1AEHMT2ALDH1A1MAPK1RAD52
SCHEMBL14585779 0.85 ALDH1A1 (0.56) KDM1AEHMT2ALDH1A1MAPK1RAD52
SCHEMBL14585400 0.84 KDM1A (0.49) KDM1AEHMT2ACP1ALDH1A1MAPK1
SCHEMBL14585310 0.84 KDM1A (0.54) KDM1AEHMT2ACP1ALDH1A1MAPK1
SCHEMBL14585296 0.84 ALDH1A1 (0.51) KDM1AEHMT2ACP1ALDH1A1MAPK1
SCHEMBL14585297 0.83 MAPK1 (0.50) KDM1AEHMT2ACP1ALDH1A1MAPK1
SCHEMBL14585356 0.83 KDM1A (0.53) KDM1AEHMT2ALDH1A1MAPK1RAD52
SCHEMBL14585295 0.83 KDM1A (0.55) KDM1AEHMT2ALDH1A1MAPK1RAD52
SCHEMBL4631081 0.83 KDM1A (0.63) KDM1AEHMT2ALDH1A1MAPK1RAD52
SCHEMBL14585380 0.82 KDM1A (0.51) KDM1AEHMT2ALDH1A1MAPK1RAD52

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070032502-A1 Quinazoline derivatives useful in cancer treatment SCHERING CORPORATION 2007-02-08 — — US disclosed
US-20070032502-A1 Quinazoline derivatives useful in cancer treatment SCHERING CORPORATION 2007-02-08 — — US disclosed
WO-2007011623-A1 QUINAZOLINE DERIVATIVES USEFUL IN CANCER TREATMENT SCHERING CORPORATION (US) 2007-01-25 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070032502-A1 Quinazoline derivatives useful in cancer treatment TP53, ACIN1, TP53BP1 KDM1A 1966/4885EHMT2 3519/4885ACP1 2019/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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